HRID959081

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11

1,2-Dichloroethane

C2H4Cl2

HCID313

Hydrochloric Acid

ClH

HCID962

Water

H2O

HCID6228

Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID92928

3-(4-Aminophenyl)-2-propenoic acid

C9H9NO2

HCID11401058

N-METHYL-1-(1-METHYL-1H-INDOL-2-YL)-METHANAMINE

C11H14N2

PRODUCTS

产物

HCID66780543

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-0f142026380c431595d9c28684acda2c
来源数据集: Validation data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Validation data from https://doi.org/10.1039/C8SC04228D

反应SMILES

[CH2:1]([Cl:2])[CH2:3][Cl:4].[CH3:18][n:19]1[c:20]([CH2:28][NH:29][CH3:30])[cH:21][c:22]2[cH:23][cH:24][cH:25][cH:26][c:27]12.[CH3:42][CH2:43][N:44]([CH2:45][CH3:46])[CH2:47][CH3:48].[ClH:5].[NH2:6][c:7]1[cH:8][cH:9][c:10]([CH:11]=[CH:12][C:13](=[O:14])[OH:15])[cH:16][cH:17]1.[O:49]=[CH:50][N:51]([CH3:52])[CH3:53].[OH2:41].[OH:31][n:32]1[c:33]2[c:34]([cH:35][cH:36][cH:37][cH:38]2)[n:39][n:40]1>>[NH2:6][c:7]1[cH:8][cH:9][c:10]([CH:11]=[CH:12][C:13](=[O:15])[N:29]([CH2:28][c:20]2[n:19]([CH3:18])[c:27]3[c:22]([cH:21]2)[cH:23][cH:24][cH:25][cH:26]3)[CH3:30])[cH:16][cH:17]1